The new potential keyword
Jump to navigation
Jump to search
Potential models implemented in
Purpose
- This page only applies to versions starting from GPUMD-v3.4.
- This keyword is used to specify the interatomic potential model for the system.
Potential models implemented in GPUMD
| The Tersoff-1989 potential | The Tersoff-1988 potential |
| The Tersoff-mini potential | The embedded atom method (EAM) potential |
| The force constant potential | The Lennard-Jones potential |
| The NEP model |
Grammar
- This keyword needs one parameter,
potential_filename, which is the filename (including relative or absolute path) of the potential file to be used.
Example
potential Si_NEP.txt
